4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine
TL;DR: 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine (CAS 68400-49-7) is a chemical compound with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]morpholine
Also Known As: 4-Morpholino-2,5-diisopropoxynitrobenzene, Morpholine, 4-[2,5-bis(1-methylethoxy)-4-nitrophenyl]-, 4-[2,5-bis(1-methylethoxy)-4-nitrophenyl]morpholine, 2,5-Diisopropoxy-4-morpholino-1-nitrobenzene, Morpholine, 4-(2,5-bis(1-methylethoxy)-4-nitrophenyl)-
| Molecular Formula | C16H24N2O5 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.16852 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 68400-49-7 |
|---|---|
| SMILES | CC(C)OC1=CC(=C(C=C1N2CCOCC2)OC(C)C)[N+](=O)[O-] |
| InChIKey | QKOQWHQAZFRCQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine (CAS 68400-49-7), with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol. IUPAC: 4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]morpholine.
Chemical Property Profile of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine
Property Insights of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine
The XLogP value of 3.0 indicates that 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine. Following Lipinski's Rule of Five, 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine?
The CAS number of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine is 68400-49-7.
What is the molecular formula of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine?
The molecular formula of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine is C16H24N2O5.
What is the molecular weight of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine?
The molecular weight of 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine is 324.17 g/mol.
Where can I buy 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine?
You can request a quote for 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Bis(1-methylethoxy)-4-nitrophenyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.